SCHEMBL249782

SCHEMBL249782

CC1COCCN1c1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.52
PIK3C3 Q8NEB9 11/20 0.47
LRRK2 Q5S007 1/20 0.42
HRH3 Q9Y5N1 4/20 0.42
KCNH2 Q12809 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL251481 1.00 MTOR (0.52) MTORPIK3C3LRRK2HRH3KCNH2
SCHEMBL249781 1.00 MTOR (0.52) MTORPIK3C3LRRK2HRH3KCNH2
SCHEMBL2599489 0.82 MTOR (0.53) MTORPIK3C3LRRK2
SCHEMBL21256945 0.81 PIK3C3 (0.50) MTORPIK3C3
SCHEMBL26515061 0.81 PIK3C3 (0.50) MTORPIK3C3
SCHEMBL27962179 0.81 KDM4E (0.44) MTORHRH3KCNH2
SCHEMBL25018626 0.80 MTOR (0.50) MTORPIK3C3
SCHEMBL24681530 0.80 MTOR (0.50) MTORPIK3C3
SCHEMBL22296389 0.80 PIK3C3 (0.49) PIK3C3
SCHEMBL24681517 0.80 MTOR (0.50) MTORPIK3C3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 MTOR 4059/4885PIK3C3 4884/4885LRRK2 4682/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.